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(1S,2R,3R,4R)-3-(2,2-DIETHYLMERCAPTOETHYL)-2-(3RS-HYDROXYOCT-1(E)-ENYL)BICYCLO[2.2.1]HEPTANE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID EoEdxrrV929
InChI InChI=1S/C21H38OS2/c1-4-7-8-9-18(22)12-13-19-16-10-11-17(14-16)20(19)15-21(23-5-2)24-6-3/h12-13,16-22H,4-11,14-15H2,1-3H3/b13-12+/t16-,17+,18?,19+,20+/m1/s1
InChIKey DWEXXPAZHKSYKJ-XCMUZARHSA-N
Mol Weight 370.7 g/mol
Molecular Formula C21H38OS2
Exact Mass 370.236408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mYYwivFots
Name (1S,2R,3R,4R)-3-(2,2-DIETHYLMERCAPTOETHYL)-2-(3RS-HYDROXYOCT-1(E)-ENYL)BICYCLO[2.2.1]HEPTANE (DIASTEREOMER MIXTURE)
Comments S2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H38OS2
InChI InChI=1S/C21H38OS2/c1-4-7-8-9-18(22)12-13-19-16-10-11-17(14-16)20(19)15-21(23-5-2)24-6-3/h12-13,16-22H,4-11,14-15H2,1-3H3/b13-12+/t16-,17+,18?,19+,20+/m1/s1
InChIKey DWEXXPAZHKSYKJ-XCMUZARHSA-N
Instrument Name Bruker AM-300
Literature Reference G.A.TOLSTIKOV, F.F.VALEEV, I.N.GAISINA, L.V.SPIRIKHIN, M.S.MIFTAKHOV (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N10, 2072-2080.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d